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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02320942

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.73
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.73
SS11-PHENYLETHANOLH1UM50.77
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.7
HTQHOMOTROPINEA,B,C2DQZ0.71
HTQHOMOTROPINEA,B,C,D,E,F1MX50.71
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.71
RMN(R)-MANDELIC ACIDA1MDL0.83
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.83
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.81
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.73
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.76
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.77
OXNOXTOXYNOL-10A1IKT0.72
OXNOXTOXYNOL-10A,B2Q320.72
OXNOXTOXYNOL-10A,B1UEH0.72
OXNOXTOXYNOL-10A,B2D4Q0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.73
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.73
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.72
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.72
FFD(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-
5-O-phosphono-D-erythro-pentitol
A,B,C,D,E,F,
G,H,I,J,K,L
2PIS0.75
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
RSOR-STYRENE OXIDEA,B1PWZ0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.78
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.72
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
MY2{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
I2CNK0.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.8
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.73
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.76
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.75
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.75
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.7
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID
A2OFF0.72
TB1(3S)-3-(BENZYLOXY)-L-ASPARTIC ACIDA,B,C2NWW0.76
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.72
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.72
S1ASORAPHEN AA,B3GID0.76
S1ASORAPHEN AA,B,C1W960.76
SMN(S)-MANDELIC ACIDA1MDL0.83
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.8
PHQFORMIC ACID BENZYL ESTERA1KJO0.8
PHQFORMIC ACID BENZYL ESTERI2CDR0.8
PHQFORMIC ACID BENZYL ESTERI2C1E0.8
PHQFORMIC ACID BENZYL ESTERI5PAD0.8
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.8
PHQFORMIC ACID BENZYL ESTERA2CNO0.8
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.8
PHQFORMIC ACID BENZYL ESTERI2AZ90.8
PHQFORMIC ACID BENZYL ESTERI2C2K0.8
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.8
PHQFORMIC ACID BENZYL ESTERA1KJP0.8
PHQFORMIC ACID BENZYL ESTERI2C2M0.8
PHQFORMIC ACID BENZYL ESTERI2AZB0.8
PHQFORMIC ACID BENZYL ESTERA9HVP0.8
PHQFORMIC ACID BENZYL ESTERA1ESB0.8
PHQFORMIC ACID BENZYL ESTERE,F1DY80.8
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.8
PHQFORMIC ACID BENZYL ESTERI1GEC0.8
PHQFORMIC ACID BENZYL ESTERA1KS70.8
PHQFORMIC ACID BENZYL ESTERC1A8G0.8
PHQFORMIC ACID BENZYL ESTERA1KKK0.8
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.8
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.8
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.8
PHQFORMIC ACID BENZYL ESTERA1KTO0.8
PHQFORMIC ACID BENZYL ESTERA,C1TG10.8
PHQFORMIC ACID BENZYL ESTERI2AZ80.8
PHQFORMIC ACID BENZYL ESTERA,B2G580.8
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.8
PHQFORMIC ACID BENZYL ESTERI2CJY0.8
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.8
PHQFORMIC ACID BENZYL ESTERA1KR60.8
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.8
PHQFORMIC ACID BENZYL ESTERA1KRO0.8
PHQFORMIC ACID BENZYL ESTERI2CNN0.8
PHQFORMIC ACID BENZYL ESTERI2C2O0.8
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.8
PHQFORMIC ACID BENZYL ESTERA,B1THE0.8
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.8
PHQFORMIC ACID BENZYL ESTERE,I5EST0.8
PHQFORMIC ACID BENZYL ESTERI2CNK0.8
PHQFORMIC ACID BENZYL ESTERA1KL60.8
PHQFORMIC ACID BENZYL ESTERI6PAD0.8
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.8
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.7
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.81
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.84
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.84
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.76
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.77
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.7
PEL2-PHENYL-ETHANOLD,H2I0T0.7
PEL2-PHENYL-ETHANOLA,B1HZY0.7
PEL2-PHENYL-ETHANOLA,B1I0B0.7
PEL2-PHENYL-ETHANOLA1EYW0.7
PEL2-PHENYL-ETHANOLA,B1JGM0.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.7